1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid

C14H21N3O3 — CID 106982984

IUPAC1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCOc1ncnc(N2CCC(C(=O)O)(C(C)C)C2)c1C
InChIInChI=1S/C14H21N3O3/c1-9(2)14(13(18)19)5-6-17(7-14)11-10(3)12(20-4)16-8-15-11/h8-9H,5-7H2,1-4H3,(H,18,19)
InChIKeyXQFPREYRWJRAEQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.73
Rot. Bonds4

About 1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid

1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 106982984) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID106982984
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCOc1ncnc(N2CCC(C(=O)O)(C(C)C)C2)c1C
InChIInChI=1S/C14H21N3O3/c1-9(2)14(13(18)19)5-6-17(7-14)11-10(3)12(20-4)16-8-15-11/h8-9H,5-7H2,1-4H3,(H,18,19)
InChIKeyXQFPREYRWJRAEQ-UHFFFAOYSA-N
XLogP1.73
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-propan-2-yl-1-quinazolin-4-ylpyrrolidine-3-carboxylic acid
CID 106983135
1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propan-2-ylazetidin-3-amine
CID 66325325
3-amino-1-(6-ethoxy-5-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 107325218
3-propan-2-yl-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid
CID 106983023
4-methoxy-5-methyl-6-pyrrolidin-1-ylpyrimidine
CID 130557587
1-(2-methoxycarbonylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983174
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983073
1-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]ethanamine
CID 66332963
1-(3-nitro-2-pyridinyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982982
2-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-3-yl]acetic acid
CID 66332132
1-(5-nitropyrimidin-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983125
1-(4-ethoxypyrimidin-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983041

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid (CID 106982984) is 1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid is COc1ncnc(N2CCC(C(=O)O)(C(C)C)C2)c1C.
What is the InChIKey of 1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is XQFPREYRWJRAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9(2)14(13(18)19)5-6-17(7-14)11-10(3)12(20-4)16-8-15-11/h8-9H,5-7H2,1-4H3,(H,18,19).
What are the key properties of 1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106982984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).